trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate

C11H18O2Si — CID 68904245

IUPACtrimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C12C=CC(CC1)C2
InChIInChI=1S/C11H18O2Si/c1-14(2,3)13-10(12)11-6-4-9(8-11)5-7-11/h4,6,9H,5,7-8H2,1-3H3
InChIKeyPTEDBLZIGAGSBM-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.72
Rot. Bonds2

About trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate

trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate (PubChem CID 68904245) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate
PubChem CID68904245
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Nametrimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C12C=CC(CC1)C2
InChIInChI=1S/C11H18O2Si/c1-14(2,3)13-10(12)11-6-4-9(8-11)5-7-11/h4,6,9H,5,7-8H2,1-3H3
InChIKeyPTEDBLZIGAGSBM-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate?
The IUPAC name of trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate (CID 68904245) is trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate.
What is the SMILES notation for trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate?
The canonical SMILES for trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate is C[Si](C)(C)OC(=O)C12C=CC(CC1)C2.
What is the InChIKey of trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate?
The InChIKey is PTEDBLZIGAGSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-14(2,3)13-10(12)11-6-4-9(8-11)5-7-11/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate?
trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate has a molecular weight of 210.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl bicyclo[2.2.1]hept-2-ene-1-carboxylate is sourced from PubChem (CID 68904245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).